CID 46173869

S-(hydroxyphenylacetothiohydroximoyl)-l-cysteine

Structural Information

Molecular Formula
C11H14N2O4S
SMILES
C1=CC(=CC=C1C/C(=N/O)/SC[C@@H](C(=O)O)N)O
InChI
InChI=1S/C11H14N2O4S/c12-9(11(15)16)6-18-10(13-17)5-7-1-3-8(14)4-2-7/h1-4,9,14,17H,5-6,12H2,(H,15,16)/b13-10-/t9-/m0/s1
InChIKey
ACNQSIOMZUBKCK-FWSONLODSA-N
Compound name
(2R)-2-amino-3-[(Z)-N-hydroxy-C-[(4-hydroxyphenyl)methyl]carbonimidoyl]sulfanylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

270.0674 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.074676 159.4
[M+Na]+ 293.056618 163.4
[M-H]- 269.060124 159.3
[M+NH4]+ 288.101223 173.4
[M+K]+ 309.030558 160.1
[M+H-H2O]+ 253.064660 152.5
[M+HCOO]- 315.065601 174.3
[M+CH3COO]- 329.081251 194.9
[M+Na-2H]- 291.042066 158.5
[M]+ 270.06685142 158.4
[M]- 270.06794858 158.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe